6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one

C10H9BrO2 — CID 131399948

IUPAC6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(Br)c(O)cc2C1
InChIInChI=1S/C10H9BrO2/c11-9-4-6-1-2-8(12)3-7(6)5-10(9)13/h4-5,13H,1-3H2
InChIKeyITIKFAZMKBBSFA-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.21
Rot. Bonds

About 6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one

6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 131399948) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID131399948
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2cc(Br)c(O)cc2C1
InChIInChI=1S/C10H9BrO2/c11-9-4-6-1-2-8(12)3-7(6)5-10(9)13/h4-5,13H,1-3H2
InChIKeyITIKFAZMKBBSFA-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one (CID 131399948) is 6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2cc(Br)c(O)cc2C1.
What is the InChIKey of 6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is ITIKFAZMKBBSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c11-9-4-6-1-2-8(12)3-7(6)5-10(9)13/h4-5,13H,1-3H2.
What are the key properties of 6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one?
6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 241.08 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-hydroxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 131399948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).